Geometry & MOs

Info

ID:	372426
PubChem CID:	131297482
Reduced:	BrClO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	315.92273
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	2.04
IP(EA), eV:	-9.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-6-methylsulfanyl-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)CCl)CCCBr

DOS

IR

Vibrations